SCHEMBL12413702

SCHEMBL12413702

CC(C)C(=O)N1CCCC(CN2CCCC2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
GRM5 P41594 1/20 0.43
GRM7 Q14831 1/20 0.43
GRM3 Q14832 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2C P18825 1/20 0.43
CCR2 P41597 6/20 0.38
KCNH2 Q12809 5/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
MAPT P10636 1/20 0.36
ACKR3 P25106 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12413700 0.98 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EMEN1RAB9AKMT2A
SCHEMBL12413654 0.92 MAPT (0.43) SMN1; SMN2CHRM5ADRA2CCHRNB2CHRNA3
SCHEMBL24837546 0.83 ACHE (0.43) SMN1; SMN2KDM4EMEN1KMT2AGRM5
SCHEMBL19755880 0.82 DPP8 (0.47) MEN1KMT2ACHRNB2CHRNA3CHRNA4
SCHEMBL19755668 0.82 LIPE (0.50) SMN1; SMN2KDM4EMEN1RAB9AKMT2A
SCHEMBL12413703 0.82 MAPT (0.48) SMN1; SMN2CHRM5ADRA2CMAPT
SCHEMBL4546628 0.82 LIPE (0.50) SMN1; SMN2KDM4EMEN1RAB9AKMT2A
SCHEMBL13783471 0.82 DPP8 (0.47) MEN1KMT2ACHRNB2CHRNA3CHRNA4
SCHEMBL12506248 0.82 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EMEN1RAB9AKMT2A
SCHEMBL24838384 0.82 POLB (0.41) SMN1; SMN2KDM4EMEN1KMT2AGRM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 SMN1; SMN2 1994/4885KDM4E 3718/4885MEN1 163/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.